SCHEMBL974497

SCHEMBL974497

O=C(O)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
CCR9 P51686 4/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL975362 0.90 KMT2A (0.44) GRIN1GRIN2BKDM4ECYP1A2CYP3A4
SCHEMBL3114790 0.90 CCR2 (0.51) CCR2CCR9PPARGMRGPRX4
SCHEMBL1100706 0.88 CCR2 (0.47) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1093477 0.86 MAPT (0.46) GRIN1GRIN2BKDM4ECYP1A2CYP3A4
SCHEMBL2999654 0.85 F10 (0.45) CCR2GRIN1GRIN2BKDM4ECYP1A2
SCHEMBL1099550 0.83 GRIN1 (0.42) GRIN1GRIN2BKDM4ECYP1A2CYP3A4
SCHEMBL298863 0.83 CCR9 (0.51) CCR2GRIN1GRIN2BCCR9
SCHEMBL1099566 0.83 KCNQ3 (0.48) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL1100149 0.81 KCNQ3 (0.49) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19
SCHEMBL1100150 0.81 ECE1 (0.45) GRIN1GRIN2BKDM4EMAPTPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101247808-B N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives and their preparation SANOFI AVENTIS 2014-08-27 CN disclosed
EP-2185558-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2014-06-18 EP disclosed
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8604050-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-12-10 US disclosed
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
EP-2185558-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-05-19 EP disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
CN-101479259-A Urea derivatives of piperidine or pyrrolidine, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-07-08 CN disclosed
WO-2009050348-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME SANOFIS-AVENTIS (FR) 2009-04-23 WO disclosed
CN-101247808-A N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-08-20 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C CCR2 1570/4885GRIN1 1136/4885GRIN2B 1010/4885
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 CCR2 1928/4885GRIN1 986/4885GRIN2B 676/4885
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 CCR2 1154/4885GRIN1 759/4885GRIN2B 531/4885
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 CCR2 2204/4885GRIN1 1428/4885GRIN2B 739/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 CCR2 1928/4885GRIN1 986/4885GRIN2B 676/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 CCR2 1407/4885GRIN1 875/4885GRIN2B 536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.